SCHEMBL6535709

SCHEMBL6535709

COc1ccc(OC[C@@H]2CCCN2)cc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.66
CHRNA3 P32297 3/20 0.63
CHRNB4 P30926 1/20 0.63

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6535715 1.00 LTA4H (0.66) LTA4HCHRNA3CHRNB4
SCHEMBL14293708 1.00 LTA4H (0.66) LTA4HCHRNA3CHRNB4
SCHEMBL6535790 0.87 LTA4H (0.66) LTA4HCHRNA3
SCHEMBL6535788 0.87 LTA4H (0.66) LTA4HCHRNA3
SCHEMBL10326507 0.87 LTA4H (0.66) LTA4HCHRNA3
SCHEMBL13809309 0.84 LTA4H (0.69) LTA4HCHRNA3
SCHEMBL11457974 0.84 CHRNB4 (0.49) LTA4HCHRNA3CHRNB4
SCHEMBL15300994 0.83 LTA4H (0.66) LTA4HCHRNA3
SCHEMBL2202052 0.83 LTA4H (0.91) LTA4HCHRNA3
SCHEMBL14541911 0.83 CHRNA3 (0.68) LTA4HCHRNA3CHRNB4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242081-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-07-21 EP disclosed
EP-1242081-A1 CASPASES AND APOPTOSIS SmithKline Beecham Corporation (US) 2002-09-25 EP disclosed
US-6403792-B1 INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
WO-2001022966-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-05 WO disclosed